ChemSpider 2D Image | N-{[1-(3-Fluorophenyl)-3-methyl-5-(4-methyl-1-piperazinyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-propylacetamide | C22H32FN5O2

N-{[1-(3-Fluorophenyl)-3-methyl-5-(4-methyl-1-piperazinyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-propylacetamide

  • Molecular FormulaC22H32FN5O2
  • Average mass417.520 Da
  • Monoisotopic mass417.253998 Da
  • ChemSpider ID22761110

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Acetamide, N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methyl-1-piperazinyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-propyl- [ACD/Index Name]
N-{[1-(3-Fluorophenyl)-3-methyl-5-(4-methyl-1-piperazinyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-propylacetamide [ACD/IUPAC Name]
N-{[1-(3-Fluorophényl)-3-méthyl-5-(4-méthyl-1-pipérazinyl)-1H-pyrazol-4-yl]méthyl}-2-méthoxy-N-propylacétamide [French] [ACD/IUPAC Name]
N-{[1-(3-Fluorphenyl)-3-methyl-5-(4-methyl-1-piperazinyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-propylacetamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 570.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.9±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 116.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 8.49
ACD/KOC (pH 7.4): 121.94
Polar Surface Area: 54 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 352.1±7.0 cm3

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